N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C26H42N8O4 — CID 23928799

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 23928799) has the molecular formula C26H42N8O4 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• PubChem CID: 23928799
• Molecular Formula: C26H42N8O4
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.33
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• SMILES: CC(C)Nc1nc(Nc2ccc(CC(=O)NCCOCCOCCN)cc2)nc(NC2CCC(O)CC2)n1
• InChI: InChI=1S/C26H42N8O4/c1-18(2)29-24-32-25(34-26(33-24)31-21-7-9-22(35)10-8-21)30-20-5-3-19(4-6-20)17-23(36)28-12-14-38-16-15-37-13-11-27/h3-6,18,21-22,35H,7-17,27H2,1-2H3,(H,28,36)(H3,29,30,31,32,33,34)
• InChIKey: NFEXYYAGAIDICF-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 168.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 23928799) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(C)Nc1nc(Nc2ccc(CC(=O)NCCOCCOCCN)cc2)nc(NC2CCC(O)CC2)n1.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The InChIKey is NFEXYYAGAIDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N8O4/c1-18(2)29-24-32-25(34-26(33-24)31-21-7-9-22(35)10-8-21)30-20-5-3-19(4-6-20)17-23(36)28-12-14-38-16-15-37-13-11-27/h3-6,18,21-22,35H,7-17,27H2,1-2H3,(H,28,36)(H3,29,30,31,32,33,34).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 530.67 g/mol, XLogP of 1.80, 16 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-hydroxycyclohexyl)amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 23928799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).